2-cycloheptylidenehexanal

C13H22O — CID 154254413

IUPAC2-cycloheptylidenehexanal
SMILESCCCCC(C=O)=C1CCCCCC1
InChIInChI=1S/C13H22O/c1-2-3-8-13(11-14)12-9-6-4-5-7-10-12/h11H,2-10H2,1H3
InChIKeyJAMRILOXQPODSZ-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.03
Rot. Bonds4

About 2-cycloheptylidenehexanal

2-cycloheptylidenehexanal (PubChem CID 154254413) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-cycloheptylidenehexanal.

Molecular Properties

Compound Name2-cycloheptylidenehexanal
PubChem CID154254413
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-cycloheptylidenehexanal
SMILESCCCCC(C=O)=C1CCCCCC1
InChIInChI=1S/C13H22O/c1-2-3-8-13(11-14)12-9-6-4-5-7-10-12/h11H,2-10H2,1H3
InChIKeyJAMRILOXQPODSZ-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexylidenehexanoic acid
CID 11446907
1-cyclohexylidene-1-iodohexan-2-one
CID 102084954
1-cycloheptylidene-1-iodohexan-2-one
CID 16680073
N-(cycloheptylideneamino)pentanamide
CID 3533607
N-cyclohexylidenehydroxylamine;hexane
CID 159104992
N-(cyclododecylideneamino)dodecanamide
CID 4575376
1,2-di(cyclopentylidene)hexylhydrazine
CID 174753821
1-cyclohexylidenetetradecan-2-one
CID 103457909
cyclohexanone;pentan-1-ol
CID 70403425
undecan-2-ylidenecyclobutane
CID 123541607
2-diethoxyphosphorylhex-1-enylidenecyclohexane
CID 25215350
2,3-dibutylhept-2-enal
CID 13086436

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylidenehexanal?
The IUPAC name of 2-cycloheptylidenehexanal (CID 154254413) is 2-cycloheptylidenehexanal.
What is the SMILES notation for 2-cycloheptylidenehexanal?
The canonical SMILES for 2-cycloheptylidenehexanal is CCCCC(C=O)=C1CCCCCC1.
What is the InChIKey of 2-cycloheptylidenehexanal?
The InChIKey is JAMRILOXQPODSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-3-8-13(11-14)12-9-6-4-5-7-10-12/h11H,2-10H2,1H3.
What are the key properties of 2-cycloheptylidenehexanal?
2-cycloheptylidenehexanal has a molecular weight of 194.32 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylidenehexanal is sourced from PubChem (CID 154254413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).